pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.77	Datawarrior	1	0	CC[NH+](CC)C[C@H](O)CO	CCN(CC)C[C@H](O)CO	mol13127	CCN(CC)CC(O)CO
9.7700005	OCHEM	1	0	CC[NH+](CC)C[C@H](O)CO	CCN(CC)C[C@H](O)CO	mol13127	CCN(CC)CC(O)CO